Structure Database (LMSD)

Common Name
2-hydroxyhexadecanal
Systematic Name
2-hydroxyhexadecanal
Synonyms
LM ID
LMFA06000252
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
FAL 16:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
BKBDVQVDRVGXKT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3
SMILES (Click to copy)
C(CCCCCC(O)C([H])=O)CCCCCCCC

Other Databases

CHEBI ID
50626
PubChem CID
18987871

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.92
Molar Refractivity 78.28

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Created at
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Updated at
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